| SpectraBase Spectrum ID |
Cr2wTPlrqAY |
| Name |
2-Propen-1-one, 3-[(1,1-dimethylethyl)thio]-1-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.092186308 u |
| Formula |
C13H16OS |
| InChI |
InChI=1S/C13H16OS/c1-13(2,3)15-10-9-12(14)11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+ |
| InChIKey |
LNUNUDOFRVMGDN-MDZDMXLPSA-N |
| Molecular Weight |
220.330 g/mol |
| SMILES |
C(\C=C\SC(C)(C)C)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978946 |
![2-Propen-1-one, 3-[(1,1-dimethylethyl)thio]-1-phenyl-](/api/spectrum/Cr2wTPlrqAY/structure.png?h=300&w=458 "2-Propen-1-one, 3-[(1,1-dimethylethyl)thio]-1-phenyl-")
